CID 12514799

2-amino-6-bromo-4-methylphenol

Structural Information

Molecular Formula
C7H8BrNO
SMILES
CC1=CC(=C(C(=C1)Br)O)N
InChI
InChI=1S/C7H8BrNO/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,9H2,1H3
InChIKey
ZOYLGWDCRVRFCO-UHFFFAOYSA-N
Compound name
2-amino-6-bromo-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

200.97893 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 133.3
[M+Na]+ 223.96815 145.8
[M-H]- 199.97165 138.6
[M+NH4]+ 219.01275 155.4
[M+K]+ 239.94209 134.1
[M+H-H2O]+ 183.97619 133.5
[M+HCOO]- 245.97713 154.8
[M+CH3COO]- 259.99278 182.9
[M+Na-2H]- 221.95360 139.9
[M]+ 200.97838 149.8
[M]- 200.97948 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe